CID 13660255

1-chloro-4-(prop-2-yn-1-yl)benzene

Structural Information

Molecular Formula
C9H7Cl
SMILES
C#CCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H7Cl/c1-2-3-8-4-6-9(10)7-5-8/h1,4-7H,3H2
InChIKey
GNZUKUHRXXDNFS-UHFFFAOYSA-N
Compound name
1-chloro-4-prop-2-ynylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

150.02362 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.03090 128.4
[M+Na]+ 173.01284 140.6
[M-H]- 149.01634 130.9
[M+NH4]+ 168.05744 148.5
[M+K]+ 188.98678 134.5
[M+H-H2O]+ 133.02088 118.4
[M+HCOO]- 195.02182 143.3
[M+CH3COO]- 209.03747 183.7
[M+Na-2H]- 170.99829 134.8
[M]+ 150.02307 124.6
[M]- 150.02417 124.6
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