CID 3022684

3-chloro-5-fluorotoluene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

927
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

No literature data available for this compound.

Patent stripe

patents stripe