CID 71340855

2-(8-chloro-9h-carbazol-1-yl)acetic acid

Structural Information

Molecular Formula
C14H10ClNO2
SMILES
C1=CC(=C2C(=C1)C3=C(N2)C(=CC=C3)Cl)CC(=O)O
InChI
InChI=1S/C14H10ClNO2/c15-11-6-2-5-10-9-4-1-3-8(7-12(17)18)13(9)16-14(10)11/h1-6,16H,7H2,(H,17,18)
InChIKey
NUTYGMIYEFIHFA-UHFFFAOYSA-N
Compound name
2-(8-chloro-9H-carbazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

259.04 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04728 154.2
[M+Na]+ 282.02922 165.8
[M-H]- 258.03272 156.6
[M+NH4]+ 277.07382 173.6
[M+K]+ 298.00316 158.6
[M+H-H2O]+ 242.03726 149.0
[M+HCOO]- 304.03820 169.7
[M+CH3COO]- 318.05385 166.8
[M+Na-2H]- 280.01467 159.6
[M]+ 259.03945 157.4
[M]- 259.04055 157.4
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