CID 46845

Tl 1503

Structural Information

Molecular Formula
C11H18AsO
SMILES
CC[As+](C)(CC)C1=CC=CC(=C1)O
InChI
InChI=1S/C11H17AsO/c1-4-12(3,5-2)10-7-6-8-11(13)9-10/h6-9H,4-5H2,1-3H3/p+1
InChIKey
CDKWYWWTVODGPA-UHFFFAOYSA-O
Compound name
diethyl-(3-hydroxyphenyl)-methylarsanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.05736 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06464 153.5
[M+Na]+ 264.04658 160.3
[M-H]- 240.05008 155.8
[M+NH4]+ 259.09118 172.7
[M+K]+ 280.02052 152.0
[M+H-H2O]+ 224.05462 150.8
[M+HCOO]- 286.05556 173.5
[M+CH3COO]- 300.07121 176.7
[M+Na-2H]- 262.03203 160.8
[M]+ 241.05681 152.9
[M]- 241.05791 152.9
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

No patent data available for this compound.