CID 100613841

(2-amino-4,5-dichlorophenyl)methanol

Structural Information

Molecular Formula
C7H7Cl2NO
SMILES
C1=C(C(=CC(=C1Cl)Cl)N)CO
InChI
InChI=1S/C7H7Cl2NO/c8-5-1-4(3-11)7(10)2-6(5)9/h1-2,11H,3,10H2
InChIKey
YJOAFNZUPHEZSQ-UHFFFAOYSA-N
Compound name
(2-amino-4,5-dichlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

190.99046 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.99774 134.6
[M+Na]+ 213.97968 145.4
[M-H]- 189.98318 136.6
[M+NH4]+ 209.02428 155.0
[M+K]+ 229.95362 139.8
[M+H-H2O]+ 173.98772 131.7
[M+HCOO]- 235.98866 149.2
[M+CH3COO]- 250.00431 181.0
[M+Na-2H]- 211.96513 139.2
[M]+ 190.98991 135.7
[M]- 190.99101 135.7
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