CID 2736590

5527-94-6

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1313
Patents

144.0142 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.021476 121.1
[M+Na]+ 167.003418 132.2
[M-H]- 143.006924 124.2
[M+NH4]+ 162.048023 144.2
[M+K]+ 182.977358 128.5
[M+H-H2O]+ 127.011460 116.5
[M+HCOO]- 189.012401 140.8
[M+CH3COO]- 203.028051 174.3
[M+Na-2H]- 164.988866 128.3
[M]+ 144.01365142 121.9
[M]- 144.01474858 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

literature stripe

Patent stripe

patents stripe