CID 7241

2-fluorotoluene

Structural Information

Molecular Formula
C7H7F
SMILES
CC1=CC=CC=C1F
InChI
InChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChIKey
MMZYCBHLNZVROM-UHFFFAOYSA-N
Compound name
1-fluoro-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

27984
Patents

110.05318 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.060456 115.9
[M+Na]+ 133.042398 125.2
[M-H]- 109.045904 118.8
[M+NH4]+ 128.087003 139.1
[M+K]+ 149.016338 123.6
[M+H-H2O]+ 93.050440 110.3
[M+HCOO]- 155.051381 140.1
[M+CH3COO]- 169.067031 169.3
[M+Na-2H]- 131.027846 124.2
[M]+ 110.05263142 114.3
[M]- 110.05372858 114.3
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