CID 223087

1-chloro-3-fluorobenzene

Structural Information

Molecular Formula
C6H4ClF
SMILES
C1=CC(=CC(=C1)Cl)F
InChI
InChI=1S/C6H4ClF/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey
VZHJIJZEOCBKRA-UHFFFAOYSA-N
Compound name
1-chloro-3-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

13628
Patents

129.99855 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.00583 117.1
[M+Na]+ 152.98777 127.6
[M-H]- 128.99127 119.9
[M+NH4]+ 148.03237 140.3
[M+K]+ 168.96171 124.1
[M+H-H2O]+ 112.99581 112.4
[M+HCOO]- 174.99675 137.1
[M+CH3COO]- 189.01240 170.1
[M+Na-2H]- 150.97322 125.5
[M]+ 129.99800 117.1
[M]- 129.99910 117.1
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