CID 118475

2-chloro-5-fluorotoluene

Structural Information

Molecular Formula
C7H6ClF
SMILES
CC1=C(C=CC(=C1)F)Cl
InChI
InChI=1S/C7H6ClF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
InChIKey
NIOGDCDTKPQEAT-UHFFFAOYSA-N
Compound name
1-chloro-4-fluoro-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

506
Patents

144.0142 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.02148 121.1
[M+Na]+ 167.00342 132.2
[M-H]- 143.00692 124.2
[M+NH4]+ 162.04802 144.2
[M+K]+ 182.97736 128.5
[M+H-H2O]+ 127.01146 116.5
[M+HCOO]- 189.01240 140.8
[M+CH3COO]- 203.02805 174.3
[M+Na-2H]- 164.98887 128.3
[M]+ 144.01365 121.9
[M]- 144.01475 121.9
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