CID 14905

3-chlorostyrene

Structural Information

Molecular Formula
C8H7Cl
SMILES
C=CC1=CC(=CC=C1)Cl
InChI
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InChIKey
BOVQCIDBZXNFEJ-UHFFFAOYSA-N
Compound name
1-chloro-3-ethenylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

16202
Patents

138.02362 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.03090 123.1
[M+Na]+ 161.01284 133.0
[M-H]- 137.01634 127.0
[M+NH4]+ 156.05744 146.0
[M+K]+ 176.98678 128.9
[M+H-H2O]+ 121.02088 119.1
[M+HCOO]- 183.02182 143.6
[M+CH3COO]- 197.03747 172.6
[M+Na-2H]- 158.99829 130.9
[M]+ 138.02307 124.3
[M]- 138.02417 124.3
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