CID 68210416

156570-10-4

Structural Information

Molecular Formula
C9H7ClF2
SMILES
C=C(CCl)C1=C(C=C(C=C1)F)F
InChI
InChI=1S/C9H7ClF2/c1-6(5-10)8-3-2-7(11)4-9(8)12/h2-4H,1,5H2
InChIKey
GCMCDEDXHXWYCN-UHFFFAOYSA-N
Compound name
1-(3-chloroprop-1-en-2-yl)-2,4-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

188.02043 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.027706 131.7
[M+Na]+ 211.009648 142.0
[M-H]- 187.013154 133.1
[M+NH4]+ 206.054253 152.7
[M+K]+ 226.983588 137.1
[M+H-H2O]+ 171.017690 125.8
[M+HCOO]- 233.018631 148.9
[M+CH3COO]- 247.034281 183.0
[M+Na-2H]- 208.995096 135.9
[M]+ 188.01988142 130.8
[M]- 188.02097858 130.8
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