CID 9314

Chlorarsenol

Structural Information

Molecular Formula

C₇H₁₄AsClO₃

SMILES

CCCCCC(=C[As](=O)(O)O)Cl

InChI

InChI=1S/C7H14AsClO3/c1-2-3-4-5-7(9)6-8(10,11)12/h6H,2-5H2,1H3,(H2,10,11,12)

InChIKey

BVLOSGJWCPXUJT-UHFFFAOYSA-N

Compound name

2-chlorohept-1-enylarsonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.98474 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	256.99202	152.4
[M+Na]+	278.97396	159.1
[M-H]-	254.97746	149.4
[M+NH4]+	274.01856	170.9
[M+K]+	294.94790	155.0
[M+H-H2O]+	238.98200	148.9
[M+HCOO]-	300.98294	166.0
[M+CH3COO]-	314.99859	178.6
[M+Na-2H]-	276.95941	155.3
[M]+	255.98419	154.2
[M]-	255.98529	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.