CID 2778198

395-45-9

Structural Information

Molecular Formula
C9H7F3
SMILES
C=CC1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C9H7F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h2-6H,1H2
InChIKey
VGWWQZSCLBZOGK-UHFFFAOYSA-N
Compound name
1-ethenyl-2-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4170
Patents

172.04999 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05727 130.0
[M+Na]+ 195.03921 139.4
[M-H]- 171.04271 130.1
[M+NH4]+ 190.08381 150.6
[M+K]+ 211.01315 136.0
[M+H-H2O]+ 155.04725 122.6
[M+HCOO]- 217.04819 150.0
[M+CH3COO]- 231.06384 179.6
[M+Na-2H]- 193.02466 136.4
[M]+ 172.04944 125.4
[M]- 172.05054 125.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe