CID 3048824

Usaf ma-7

Structural Information

Molecular Formula
C7H6F3NS
SMILES
C1=CC(=C(C=C1N)C(F)(F)F)S
InChI
InChI=1S/C7H6F3NS/c8-7(9,10)5-3-4(11)1-2-6(5)12/h1-3,12H,11H2
InChIKey
IOHYASMLDCKIDI-UHFFFAOYSA-N
Compound name
4-amino-2-(trifluoromethyl)benzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

193.0173 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.024576 132.3
[M+Na]+ 216.006518 142.2
[M-H]- 192.010024 132.4
[M+NH4]+ 211.051123 152.3
[M+K]+ 231.980458 138.4
[M+H-H2O]+ 176.014560 124.6
[M+HCOO]- 238.015501 147.7
[M+CH3COO]- 252.031151 183.5
[M+Na-2H]- 213.991966 135.0
[M]+ 193.01675142 128.6
[M]- 193.01784858 128.6
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