CID 103689408

3-chloro-2-(difluoromethoxy)aniline

Structural Information

Molecular Formula
C7H6ClF2NO
SMILES
C1=CC(=C(C(=C1)Cl)OC(F)F)N
InChI
InChI=1S/C7H6ClF2NO/c8-4-2-1-3-5(11)6(4)12-7(9)10/h1-3,7H,11H2
InChIKey
TWSBDOQDAMYDDC-UHFFFAOYSA-N
Compound name
3-chloro-2-(difluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

193.0106 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.01788 132.6
[M+Na]+ 215.99982 142.5
[M-H]- 192.00332 133.6
[M+NH4]+ 211.04442 152.7
[M+K]+ 231.97376 138.7
[M+H-H2O]+ 176.00786 126.3
[M+HCOO]- 238.00880 150.8
[M+CH3COO]- 252.02445 183.9
[M+Na-2H]- 213.98527 136.9
[M]+ 193.01005 131.4
[M]- 193.01115 131.4
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

patents stripe