CID 137000

1-chloro-3,5-difluorobenzene

Structural Information

Molecular Formula
C6H3ClF2
SMILES
C1=C(C=C(C=C1F)Cl)F
InChI
InChI=1S/C6H3ClF2/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey
RFKBODCWHNDUTJ-UHFFFAOYSA-N
Compound name
1-chloro-3,5-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

868
Patents

147.98914 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.99642 118.7
[M+Na]+ 170.97836 130.2
[M-H]- 146.98186 120.5
[M+NH4]+ 166.02296 141.5
[M+K]+ 186.95230 126.3
[M+H-H2O]+ 130.98640 113.3
[M+HCOO]- 192.98734 137.7
[M+CH3COO]- 207.00299 174.0
[M+Na-2H]- 168.96381 125.9
[M]+ 147.98859 118.0
[M]- 147.98969 118.0
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