CID 3580079

4-difluoromethanesulfinylaniline

Structural Information

Molecular Formula
C7H7F2NOS
SMILES
C1=CC(=CC=C1N)S(=O)C(F)F
InChI
InChI=1S/C7H7F2NOS/c8-7(9)12(11)6-3-1-5(10)2-4-6/h1-4,7H,10H2
InChIKey
UZTPYPWZQDZXCR-UHFFFAOYSA-N
Compound name
4-(difluoromethylsulfinyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.02164 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.02892 133.1
[M+Na]+ 214.01086 141.2
[M-H]- 190.01436 134.0
[M+NH4]+ 209.05546 152.5
[M+K]+ 229.98480 138.2
[M+H-H2O]+ 174.01890 125.6
[M+HCOO]- 236.01984 149.5
[M+CH3COO]- 250.03549 182.8
[M+Na-2H]- 211.99631 134.2
[M]+ 191.02109 130.3
[M]- 191.02219 130.3
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.