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

28
Patents

188.02043 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02771 131.7
[M+Na]+ 211.00965 142.0
[M-H]- 187.01315 133.1
[M+NH4]+ 206.05425 152.7
[M+K]+ 226.98359 137.1
[M+H-H2O]+ 171.01769 125.8
[M+HCOO]- 233.01863 148.9
[M+CH3COO]- 247.03428 183.0
[M+Na-2H]- 208.99510 135.9
[M]+ 188.01988 130.8
[M]- 188.02098 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