CID 9935

2-fluorobenzoic acid

Structural Information

Molecular Formula
C7H5FO2
SMILES
C1=CC=C(C(=C1)C(=O)O)F
InChI
InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKey
NSTREUWFTAOOKS-UHFFFAOYSA-N
Compound name
2-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

48
References

8889
Patents

140.02736 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.03464 122.4
[M+Na]+ 163.01658 131.2
[M-H]- 139.02008 124.0
[M+NH4]+ 158.06118 143.4
[M+K]+ 178.99052 129.4
[M+H-H2O]+ 123.02462 116.7
[M+HCOO]- 185.02556 144.8
[M+CH3COO]- 199.04121 170.4
[M+Na-2H]- 161.00203 128.8
[M]+ 140.02681 120.5
[M]- 140.02791 120.5
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