CID 134690737

2059934-12-0

Structural Information

Molecular Formula
C7H7F2NOS
SMILES
CS(=N)(=O)C1=C(C=CC(=C1)F)F
InChI
InChI=1S/C7H7F2NOS/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4,10H,1H3
InChIKey
NCVMYQKRTYFNSP-UHFFFAOYSA-N
Compound name
(2,5-difluorophenyl)-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.02164 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.028916 131.8
[M+Na]+ 214.010858 142.1
[M-H]- 190.014364 133.9
[M+NH4]+ 209.055463 152.1
[M+K]+ 229.984798 138.2
[M+H-H2O]+ 174.018900 124.9
[M+HCOO]- 236.019841 149.5
[M+CH3COO]- 250.035491 182.3
[M+Na-2H]- 211.996306 136.2
[M]+ 191.02109142 130.4
[M]- 191.02218858 130.4
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

No patent data available for this compound.