CID 9745

1,3,5-trifluorobenzene

Structural Information

Molecular Formula
C6H3F3
SMILES
C1=C(C=C(C=C1F)F)F
InChI
InChI=1S/C6H3F3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey
JXUKFFRPLNTYIV-UHFFFAOYSA-N
Compound name
1,3,5-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

27
References

5821
Patents

132.01869 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.02597 116.1
[M+Na]+ 155.00791 126.8
[M-H]- 131.01141 116.8
[M+NH4]+ 150.05251 138.6
[M+K]+ 170.98185 124.6
[M+H-H2O]+ 115.01595 108.9
[M+HCOO]- 177.01689 138.5
[M+CH3COO]- 191.03254 173.0
[M+Na-2H]- 152.99336 123.1
[M]+ 132.01814 112.2
[M]- 132.01924 112.2
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