CID 3002223

O-isopropyl n-[4-chloro-3-(difluoromethoxy)phenyl]carbamothioate

Structural Information

Molecular Formula
C11H12ClF2NO2S
SMILES
CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)OC(F)F
InChI
InChI=1S/C11H12ClF2NO2S/c1-6(2)16-11(18)15-7-3-4-8(12)9(5-7)17-10(13)14/h3-6,10H,1-2H3,(H,15,18)
InChIKey
KLGFFBYCUCXLKO-UHFFFAOYSA-N
Compound name
O-propan-2-yl N-[4-chloro-3-(difluoromethoxy)phenyl]carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.02454 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.03182 157.7
[M+Na]+ 318.01376 165.3
[M-H]- 294.01726 158.9
[M+NH4]+ 313.05836 174.3
[M+K]+ 333.98770 161.0
[M+H-H2O]+ 278.02180 150.7
[M+HCOO]- 340.02274 168.2
[M+CH3COO]- 354.03839 201.8
[M+Na-2H]- 315.99921 156.0
[M]+ 295.02399 160.5
[M]- 295.02509 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.